3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C16H16N4OS — CID 97217841

IUPAC3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC[C@H]2c2cccs2)n1
InChIInChI=1S/C16H16N4OS/c1-11-18-16(21-19-11)12-5-2-8-17-15(12)20-9-3-6-13(20)14-7-4-10-22-14/h2,4-5,7-8,10,13H,3,6,9H2,1H3/t13-/m0/s1
InChIKeyCDIPCVWGXCTDTO-ZDUSSCGKSA-N
MW312.40 g/mol
LogP3.84
Rot. Bonds3

About 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 97217841) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID97217841
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC[C@H]2c2cccs2)n1
InChIInChI=1S/C16H16N4OS/c1-11-18-16(21-19-11)12-5-2-8-17-15(12)20-9-3-6-13(20)14-7-4-10-22-14/h2,4-5,7-8,10,13H,3,6,9H2,1H3/t13-/m0/s1
InChIKeyCDIPCVWGXCTDTO-ZDUSSCGKSA-N
XLogP3.84
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319679
3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319680
3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160338
2-(2-thiophen-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 55635999
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75382035
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
CID 124865996
3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319012
5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 75442478

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 97217841) is 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2cccnc2N2CCC[C@H]2c2cccs2)n1.
What is the InChIKey of 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CDIPCVWGXCTDTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-18-16(21-19-11)12-5-2-8-17-15(12)20-9-3-6-13(20)14-7-4-10-22-14/h2,4-5,7-8,10,13H,3,6,9H2,1H3/t13-/m0/s1.
What are the key properties of 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 312.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97217841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).